General Information of the Compound
| Compound ID |
CP0431219
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| Compound Name |
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-thiophen-2-ylbenzamide
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| Structure |
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| Formula |
C22H22N2OS
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| Molecular Weight |
362.498
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| Canonical SMILES |
O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(c1)-c1cccs1
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| InChI |
InChI=1S/C22H22N2OS/c25-22(19-9-4-8-18(14-19)21-10-5-13-26-21)23-20-11-12-24(16-20)15-17-6-2-1-3-7-17/h1-10,13-14,20H,11-12,15-16H2,(H,23,25)/t20-/m0/s1
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| InChIKey |
XNRNDZGXNRPGOC-FQEVSTJZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01161, D(4) dopamine receptor